Interface IQueryAtom
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- All Superinterfaces:
Cloneable
,IAtom
,IAtomType
,ICDKObject
,IChemObject
,IElement
,IIsotope
- All Known Implementing Classes:
AliphaticAtom
,AliphaticSymbolAtom
,AnyAtom
,AromaticAtom
,AromaticSymbolAtom
,AtomicNumberAtom
,ChiralityAtom
,ExplicitConnectionAtom
,FormalChargeAtom
,HybridizationNumberAtom
,HydrogenAtom
,ImplicitHCountAtom
,InverseSymbolSetQueryAtom
,LogicalOperatorAtom
,MassAtom
,NonCHHeavyAtom
,PeriodicGroupNumberAtom
,PharmacophoreQueryAtom
,QueryAtom
,ReactionRoleQueryAtom
,RecursiveSmartsAtom
,RingIdentifierAtom
,RingMembershipAtom
,SmallestRingAtom
,SMARTSAtom
,SymbolAndChargeQueryAtom
,SymbolChargeIDQueryAtom
,SymbolQueryAtom
,SymbolSetQueryAtom
,TotalConnectionAtom
,TotalHCountAtom
,TotalRingConnectionAtom
,TotalValencyAtom
public interface IQueryAtom extends IAtom
Defines the ability to be matched againstIAtom
's.
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Nested Class Summary
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Nested classes/interfaces inherited from interface org.openscience.cdk.interfaces.IAtomType
IAtomType.Hybridization
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Field Summary
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Fields inherited from interface org.openscience.cdk.interfaces.IChemObject
ALIPHATIC, AROMATIC, CONJUGATED, HYDROGEN_BOND_ACCEPTOR, HYDROGEN_BOND_DONOR, IN_RING, MAPPED, NOT_IN_RING, PLACED, REACTIVE_CENTER, SINGLE_OR_DOUBLE, TYPEABLE, VISITED
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Fields inherited from interface org.openscience.cdk.interfaces.IElement
Ac, Ag, Al, Am, Ar, As, At, Au, B, Ba, Be, Bh, Bi, Bk, Br, C, Ca, Cd, Ce, Cf, Cl, Cm, Cn, Co, Cr, Cs, Cu, Db, Ds, Dy, Er, Es, Eu, F, Fe, Fl, Fm, Fr, Ga, Gd, Ge, H, He, Hf, Hg, Ho, Hs, I, In, Ir, K, Kr, La, Li, Lr, Lu, Lv, Mc, Md, Mg, Mn, Mo, Mt, N, Na, Nb, Nd, Ne, Nh, Ni, No, Np, O, Og, Os, P, Pa, Pb, Pd, Pm, Po, Pr, Pt, Pu, Ra, Rb, Re, Rf, Rg, Rh, Rn, Ru, S, Sb, Sc, Se, Sg, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, Ts, U, V, W, Wildcard, Xe, Y, Yb, Zn, Zr
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Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description boolean
matches(IAtom atom)
Returns true of the givenatom
matches this IQueryAtom.-
Methods inherited from interface org.openscience.cdk.interfaces.IAtom
bonds, clone, getBond, getBondCount, getCharge, getContainer, getFractionalPoint3d, getImplicitHydrogenCount, getIndex, getMapIdx, getPoint2d, getPoint3d, getStereoParity, getTotalHydrogenCount, isAromatic, isInRing, neighbors, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setMapIdx, setPoint2d, setPoint3d, setStereoParity
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Methods inherited from interface org.openscience.cdk.interfaces.IAtomType
getAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValency
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Methods inherited from interface org.openscience.cdk.interfaces.ICDKObject
getBuilder
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Methods inherited from interface org.openscience.cdk.interfaces.IChemObject
addListener, addProperties, clear, flags, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, is, notifyChanged, notifyChanged, removeListener, removeProperty, set, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toString
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Methods inherited from interface org.openscience.cdk.interfaces.IElement
getAtomicNumber, getSymbol, setAtomicNumber, setSymbol
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Methods inherited from interface org.openscience.cdk.interfaces.IIsotope
getExactMass, getMassNumber, getNaturalAbundance, setExactMass, setMassNumber, setNaturalAbundance
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Method Detail
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matches
boolean matches(IAtom atom)
Returns true of the givenatom
matches this IQueryAtom.- Parameters:
atom
- IAtom to match against- Returns:
- true, if this IQueryAtom matches the given IAtom
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